# -*- coding: utf-8 -*-
compoundYamls = [
"""---
{IUPACname: !!python/unicode '(2s)-2-aminopropanoic acid', formula: !!python/unicode 'C3H7NO2',
  inchi: !!python/unicode 'InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1',
  molfile: "5950\n  -OEChem-09140918132D\n\n 13 12  0     1  0  0  0  0  0999 V2000\n\
    \    5.1350   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690\
    \    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369    0.2500\
    \    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -0.2500    0.0000\
    \ C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.4030   -1.2500    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.2500    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.4030    0.3700    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.7830   -1.2500    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.4030   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.0230   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    2.5369    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6720\
    \    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0  0\
    \  0  0\n  1 13  1  0  0  0  0\n  2  6  2  0  0  0  0\n  4  3  1  6  0  0  0\n\
    \  3 11  1  0  0  0  0\n  3 12  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6 \
    \ 1  0  0  0  0\n  4  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  5  9  1  0  0\
    \  0  0\n  5 10  1  0  0  0  0\nM  END\n", name: !!python/unicode 'alanine'}


""",
"""---
{IUPACname: !!python/unicode '2-aminoacetic acid', formula: !!python/unicode 'C2H5NO2',
  inchi: !!python/unicode 'InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)', molfile: "750\n\
    \  -OEChem-09140918172D\n\n 10  9  0     0  0  0  0  0  0999 V2000\n    2.5369\
    \    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -0.7500\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1350    0.2500    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.7500    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.4030    0.2500    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    4.6675    1.2250    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    3.8705    1.2250    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.6720    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    5.1350   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \  1  5  1  0  0  0  0\n  1 10  1  0  0  0  0\n  2  5  2  0  0  0  0\n  3  4 \
    \ 1  0  0  0  0\n  3  8  1  0  0  0  0\n  3  9  1  0  0  0  0\n  4  5  1  0  0\
    \  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\nM  END\n", name: !!python/unicode 'glycine'}


""",
"""---
{IUPACname: !!python/unicode '2-aminobutanedioic acid', formula: !!python/unicode 'C4H7NO4',
  inchi: !!python/unicode 'InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)',
  molfile: "424\n  -OEChem-09140918192D\n\n 16 15  0     1  0  0  0  0  0999 V2000\n\
    \    6.8671   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369\
    \    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0010    1.4050\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -1.0950    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -1.0950    0.0000 N   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -0.0950    0.0000 C   0  0  3\
    \  0  0  0  0  0  0  0  0  0\n    4.2690    0.4050    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    5.8711   -0.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    4.6675    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    3.8705    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5981\
    \   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6720   -1.4050\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4040    0.2150    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.0950    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n  1  8  1  0  0  0  0\n  1 15  1  0  0  0\
    \  0\n  2  9  1  0  0  0  0\n  2 16  1  0  0  0  0\n  3  8  2  0  0  0  0\n  4\
    \  9  2  0  0  0  0\n  5  6  1  0  0  0  0\n  5 13  1  0  0  0  0\n  5 14  1 \
    \ 0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  6 10  1  0  0  0\
    \  0\n  7  9  1  0  0  0  0\n  7 11  1  0  0  0  0\n  7 12  1  0  0  0  0\nM \
    \ END\n", name: !!python/unicode 'aspartic acid'}


""",
"""---
{IUPACname: !!python/unicode '7h-purin-6-amine', formula: !!python/unicode 'C5H5N5',
  inchi: !!python/unicode 'InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)',
  molfile: "190\n  -OEChem-09140918302D\n\n 15 16  0     0  0  0  0  0  0999 V2000\n\
    \    4.6783    0.1497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6783\
    \   -1.4597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660   -1.6550\
    \    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000   -0.1550    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    1.3450    0.0000 N   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -0.1550    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.7321   -1.1550    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.2619   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    4.8709    0.7391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    5.8819   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4631\
    \   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3291    1.6550\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030    1.6550    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0  0  0  0\n  1  9  1  0\
    \  0  0  0\n  1 11  1  0  0  0  0\n  2  7  1  0  0  0  0\n  2  9  2  0  0  0 \
    \ 0\n  3  7  1  0  0  0  0\n  3 10  2  0  0  0  0\n  4  8  2  0  0  0  0\n  4\
    \ 10  1  0  0  0  0\n  5  8  1  0  0  0  0\n  5 14  1  0  0  0  0\n  5 15  1 \
    \ 0  0  0  0\n  6  7  2  0  0  0  0\n  6  8  1  0  0  0  0\n  9 12  1  0  0  0\
    \  0\n 10 13  1  0  0  0  0\nM  END\n", name: !!python/unicode 'adenine'}


""",
"""---
{IUPACname: !!python/unicode 'formonitrile', formula: !!python/unicode 'CHN', inchi: !!python/unicode 'InChI=1S/CHN/c1-2/h1H',
  molfile: "768\n  -OEChem-09140918362D\n\n  3  2  0     0  0  0  0  0  0999 V2000\n\
    \    3.4030    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369\
    \   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000   -0.4050\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  3  0  0  0  0\n  2\
    \  3  1  0  0  0  0\nM  END\n", name: !!python/unicode 'hydrogen cyanide'}


""",
"""---
{IUPACname: !!python/unicode '2-hydroxyacetaldehyde', formula: !!python/unicode 'C2H4O2',
  inchi: !!python/unicode 'InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2', molfile: "756\n  -OEChem-09210914222D\n\
    \n  8  7  0     0  0  0  0  0  0999 V2000\n    4.2690    0.2500    0.0000 O  \
    \ 0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369   -0.7500    0.0000 O   0  0\
    \  0  0  0  0  0  0  0  0  0  0\n    3.4030    0.7500    0.0000 C   0  0  0  0\
    \  0  0  0  0  0  0  0  0\n    2.5369    0.2500    0.0000 C   0  0  0  0  0  0\
    \  0  0  0  0  0  0\n    3.8015    1.2249    0.0000 H   0  0  0  0  0  0  0  0\
    \  0  0  0  0\n    3.0044    1.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0\
    \  0  0\n    2.0000    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    4.8059    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3\
    \  1  0  0  0  0\n  1  8  1  0  0  0  0\n  2  4  2  0  0  0  0\n  3  4  1  0 \
    \ 0  0  0\n  3  5  1  0  0  0  0\n  3  6  1  0  0  0  0\n  4  7  1  0  0  0  0\n\
    M  END\n", name: !!python/unicode 'glycoaldehyde'}


""",
"""---
{IUPACname: !!python/unicode 'formic acid', formula: !!python/unicode 'CH2O2', inchi: !!python/unicode 'InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)',
  molfile: "284\n  -OEChem-09210914232D\n\n  5  4  0     0  0  0  0  0  0999 V2000\n\
    \    3.7321    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000\
    \    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.0600\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660   -0.5600    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.2500    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n  1  3  1  0  0  0  0\n  1  5  1  0  0  0\
    \  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\nM  END\n", name: !!python/unicode 'formic
    acid'}


""",
"""---
{IUPACname: !!python/unicode 'formamide', formula: !!python/unicode 'CH3NO', inchi: !!python/unicode 'InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)',
  molfile: "713\n  -OEChem-09210914242D\n\n  6  5  0     0  0  0  0  0  0999 V2000\n\
    \    4.2690   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369\
    \   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030    0.2500\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.0600    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369   -0.8700    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.4030    0.8700    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n  1  3  2  0  0  0  0\n  2  3  1  0  0  0  0\n \
    \ 2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nM  END\n",
  name: !!python/unicode 'formamide'}


""",
"""---
{IUPACname: !!python/unicode 'oxidane', formula: !!python/unicode 'H2O', inchi: !!python/unicode 'InChI=1S/H2O/h1H2',
  molfile: "962\n  -OEChem-09210914282D\n\n  3  2  0     0  0  0  0  0  0999 V2000\n\
    \    2.5369   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0739\
    \    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.1550\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1\
    \  3  1  0  0  0  0\nM  END\n", name: !!python/unicode 'water'}


""",
"""---
{IUPACname: !!python/unicode 'molecular oxygen', formula: !!python/unicode 'O2', inchi: !!python/unicode 'InChI=1S/O2/c1-2',
  molfile: "977\n  -OEChem-09210914282D\n\n  2  1  0     0  0  0  0  0  0999 V2000\n\
    \    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000\
    \    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0\
    \  0  0\nM  END\n", name: !!python/unicode 'molecular oxygen'}


""",
"""---
{IUPACname: !!python/unicode 'molecular nitrogen', formula: !!python/unicode 'N2',
  inchi: !!python/unicode 'InChI=1S/N2/c1-2', molfile: "947\n  -OEChem-09210914292D\n\
    \n  2  1  0     0  0  0  0  0  0999 V2000\n    2.0000    0.0000    0.0000 N  \
    \ 0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 N   0  0\
    \  0  0  0  0  0  0  0  0  0  0\n  1  2  3  0  0  0  0\nM  END\n", name: !!python/unicode 'molecular
    nitrogen'}


""",
"""---
{IUPACname: !!python/unicode 'methane', formula: !!python/unicode 'CH4', inchi: !!python/unicode 'InChI=1S/CH4/h1H4',
  molfile: "297\n  -OEChem-09210914302D\n\n  5  4  0     0  0  0  0  0  0999 V2000\n\
    \    2.5369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0739\
    \    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000   -0.3100\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2269    0.5369    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8469   -0.5369    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0\
    \  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  END\n", name: !!python/unicode 'methane'}


""",
"""---
{IUPACname: !!python/unicode 'azane', formula: !!python/unicode 'H3N', inchi: !!python/unicode 'InChI=1S/H3N/h1H3',
  molfile: "222\n  -OEChem-09210914312D\n\n  4  3  0     0  0  0  0  0  0999 V2000\n\
    \    2.5369    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0739\
    \    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.4650\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369   -0.4650    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0\
    \  0  0  0\n  1  4  1  0  0  0  0\nM  END\n", name: !!python/unicode 'ammonia'}


""",
"""---
{IUPACname: !!python/unicode 'molecular hydrogen', formula: !!python/unicode 'H2',
  inchi: !!python/unicode 'InChI=1S/H2/h1H', molfile: "783\n  -OEChem-09210914322D\n\
    \n  2  1  0     0  0  0  0  0  0999 V2000\n    2.0000    0.0000    0.0000 H  \
    \ 0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 H   0  0\
    \  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\nM  END\n", name: !!python/unicode 'molecular
    hydrogen'}


""",
"""---
{IUPACname: !!python/unicode 'carbon dioxide', formula: !!python/unicode 'CO2', inchi: !!python/unicode 'InChI=1S/CO2/c2-1-3',
  molfile: "280\n  -OEChem-09210914322D\n\n  3  2  0     0  0  0  0  0  0999 V2000\n\
    \    3.7321    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000\
    \   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.0000\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3  2  0  0  0  0\n  2\
    \  3  2  0  0  0  0\nM  END\n", name: !!python/unicode 'carbon dioxide'}


""",
"""---
{IUPACname: !!python/unicode 'ethane-1,2-diol', formula: !!python/unicode 'C2H6O2',
  inchi: !!python/unicode 'InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2', molfile: "174\n\
    \  -OEChem-09210914342D\n\n 10  9  0     0  0  0  0  0  0999 V2000\n    2.5369\
    \    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -0.2500\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -0.2500    0.0000\
    \ C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.2500    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.0044   -0.7249    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.8015   -0.7249    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.6675    0.7249    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.8705    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    5.6720    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \  1  3  1  0  0  0  0\n  1  9  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2 10 \
    \ 1  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  3  6  1  0  0\
    \  0  0\n  4  7  1  0  0  0  0\n  4  8  1  0  0  0  0\nM  END\n", name: !!python/unicode 'ethylene
    glycol'}


""",
"""---
{IUPACname: !!python/unicode 'methanimine', formula: !!python/unicode 'CH3N', inchi: !!python/unicode 'InChI=1S/CH3N/c1-2/h2H,1H2',
  molfile: "123139\n  -OEChem-09210914352D\n\n  5  4  0     0  0  0  0  0  0999 V2000\n\
    \    3.4030    0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369\
    \    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.3700\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369   -0.5600    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9399    0.2500    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  5  1  0  0  0\
    \  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\nM  END\n", name: !!python/unicode 'methanimine'}


""",
"""---
{IUPACname: !!python/unicode 'benzonitrile', formula: !!python/unicode 'C7H5N', inchi: !!python/unicode 'InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H',
  molfile: "7505\n  -OEChem-09210914402D\n\n 13 13  0     0  0  0  0  0  0999 V2000\n\
    \    2.8660    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660\
    \    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -0.5000\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000   -0.5000    0.0000\
    \ C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -1.5000    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    2.0000   -1.5000    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    2.8660   -2.0000    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    4.2690   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    1.4631   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    4.2690   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    1.4631   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660\
    \   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  8  3  0  0\
    \  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  2  8  1  0  0  0  0\n\
    \  3  5  1  0  0  0  0\n  3  9  1  0  0  0  0\n  4  6  2  0  0  0  0\n  4 10 \
    \ 1  0  0  0  0\n  5  7  2  0  0  0  0\n  5 11  1  0  0  0  0\n  6  7  1  0  0\
    \  0  0\n  6 12  1  0  0  0  0\n  7 13  1  0  0  0  0\nM  END\n", name: !!python/unicode 'cyanobenzene'}


""",
"""---
{IUPACname: !!python/unicode 'buta-2,3-dienenitrile', formula: !!python/unicode 'C4H3N',
  inchi: !!python/unicode 'InChI=1S/C4H3N/c1-2-3-4-5/h3H,1H2', molfile: "136789\n\
    \  -OEChem-09210914412D\n\n  8  7  0     0  0  0  0  0  0999 V2000\n    2.0000\
    \    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -0.5000\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5981    0.0000    0.0000\
    \ C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4641    0.5000    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.0000    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.7321   -1.1200    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    6.0010    0.1900    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.4641    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n  1  5  3  0  0  0  0\n  2  3  2  0  0  0  0\n  2  5  1  0  0  0 \
    \ 0\n  2  6  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  7  1  0  0  0  0\n  4\
    \  8  1  0  0  0  0\nM  END\n", name: !!python/unicode 'cyanoallene'}


""",
"""---
{IUPACname: !!python/unicode 'acetonitrile', formula: !!python/unicode 'C2H3N', inchi: !!python/unicode 'InChI=1S/C2H3N/c1-2-3/h1H3',
  molfile: "6342\n  -OEChem-09210914432D\n\n  6  5  0     0  0  0  0  0  0999 V2000\n\
    \    3.7321    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000\
    \   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.0000\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6900    0.0369    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4631   -0.8100    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    2.3100   -1.0369    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n  1  3  3  0  0  0  0\n  2  3  1  0  0  0  0\n \
    \ 2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  1  0  0  0  0\nM  END\n",
  name: !!python/unicode 'acetonitrile'}


""",
"""---
{IUPACname: !!python/unicode 'methylsulfinylmethane', formula: !!python/unicode 'C2H6OS',
  inchi: !!python/unicode 'InChI=1S/C2H6OS/c1-4(2)3/h1-2H3', molfile: "679\n  -OEChem-09210914462D\n\
    \n 10  9  0     0  0  0  0  0  0999 V2000\n    2.8660    0.2500    0.0000 S  \
    \ 0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321    0.7500    0.0000 O   0  0\
    \  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.7500    0.0000 C   0  0  0  0\
    \  0  0  0  0  0  0  0  0\n    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0\
    \  0  0  0  0  0  0\n    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0\
    \  0  0  0  0\n    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0\
    \  0  0\n    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    2.2460   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660\
    \   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4860   -0.7500\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1\
    \  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  3  6  1 \
    \ 0  0  0  0\n  3  7  1  0  0  0  0\n  4  8  1  0  0  0  0\n  4  9  1  0  0  0\
    \  0\n  4 10  1  0  0  0  0\nM  END\n", name: !!python/unicode 'dimethyl sulfoxide'}


""",
"""---
{IUPACname: !!python/unicode 'ethenethione', formula: !!python/unicode 'C2H2S', inchi: !!python/unicode 'InChI=1S/C2H2S/c1-2-3/h1H2',
  molfile: "140368\n  -OEChem-09210914472D\n\n  5  4  0     0  0  0  0  0  0999 V2000\n\
    \    3.7321    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000\
    \   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.0000\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4631   -0.1900    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000   -1.1200    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n  1  3  2  0  0  0  0\n  2  3  2  0  0  0\
    \  0\n  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\nM  END\n", name: !!python/unicode 'thioketene'}


""",
"""---
{IUPACname: !!python/unicode 'acetylene', formula: !!python/unicode 'C2H2', inchi: !!python/unicode 'InChI=1S/C2H2/c1-2/h1-2H',
  molfile: "6326\n  -OEChem-09210914482D\n\n  4  3  0     0  0  0  0  0  0999 V2000\n\
    \    2.5369   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030\
    \    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000   -0.5600\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9399    0.5600    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  3  0  0  0  0\n  1  3  1  0\
    \  0  0  0\n  2  4  1  0  0  0  0\nM  END\n", name: !!python/unicode 'acetylene'}


""",
"""---
{IUPACname: !!python/unicode 'ethene', formula: !!python/unicode 'C2H4', inchi: !!python/unicode 'InChI=1S/C2H4/c1-2/h1-2H2',
  molfile: "6325\n  -OEChem-09210914482D\n\n  6  5  0     0  0  0  0  0  0999 V2000\n\
    \    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000\
    \    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6900    0.5369\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6900   -0.5369    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3100   -0.5369    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.3100    0.5369    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n \
    \ 1  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  1  0  0  0  0\nM  END\n",
  name: !!python/unicode 'ethylene'}


""",
"""---
{IUPACname: !!python/unicode 'thiirene', formula: !!python/unicode 'C2H2S', inchi: !!python/unicode 'InChI=1S/C2H2S/c1-2-3-1/h1-2H',
  molfile: "5461041\n  -OEChem-09210914492D\n\n  5  5  0     0  0  0  0  0  0999 V2000\n\
    \    2.5000    0.4330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000\
    \   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -0.4330\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4631   -0.7430    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5369   -0.7430    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0\
    \  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  3  5  1  0  0  0  0\nM \
    \ END\n", name: !!python/unicode 'thiirene'}


""",
"""---
{IUPACname: !!python/unicode 'thiirane', formula: !!python/unicode 'C2H4S', inchi: !!python/unicode 'InChI=1S/C2H4S/c1-2-3-1/h1-2H2',
  molfile: "9865\n  -OEChem-09210914492D\n\n  7  7  0     0  0  0  0  0  0999 V2000\n\
    \    2.5000    0.4330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000\
    \   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -0.4330\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4174   -0.2210    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8923   -1.0436    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.1077   -1.0436    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.5826   -0.2210    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  2  3 \
    \ 1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  3  6  1  0  0\
    \  0  0\n  3  7  1  0  0  0  0\nM  END\n", name: !!python/unicode 'thiirane'}


""",
"""---
{IUPACname: !!python/unicode '(2s)-2-aminopentanedioic acid', formula: !!python/unicode 'C5H9NO4',
  inchi: !!python/unicode 'InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1',
  molfile: "33032\n  -OEChem-09210914592D\n\n 19 18  0     1  0  0  0  0  0999 V2000\n\
    \    5.4641    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000\
    \   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5981    2.5600\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -1.9400    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    1.5600    0.0000 N   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.7321    0.0600    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.7321    1.0600    0.0000 C   0  0  1  0  0\
    \  0  0  0  0  0  0  0\n    2.8660   -0.4400    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    4.5981    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    2.8660   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    3.9441   -0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    4.3426    0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321\
    \    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6540    0.1426\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2554   -0.5477    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3291    1.2500    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    2.1800    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    6.0010    1.3700    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.0000   -2.5600    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n  1  9  1  0  0  0  0\n  1 18  1  0  0  0  0\n  2 10  1  0 \
    \ 0  0  0\n  2 19  1  0  0  0  0\n  3  9  2  0  0  0  0\n  4 10  2  0  0  0  0\n\
    \  7  5  1  6  0  0  0\n  5 16  1  0  0  0  0\n  5 17  1  0  0  0  0\n  6  7 \
    \ 1  0  0  0  0\n  6  8  1  0  0  0  0\n  6 11  1  0  0  0  0\n  6 12  1  0  0\
    \  0  0\n  7  9  1  0  0  0  0\n  7 13  1  0  0  0  0\n  8 10  1  0  0  0  0\n\
    \  8 14  1  0  0  0  0\n  8 15  1  0  0  0  0\nM  END\n", name: !!python/unicode 'l-glutamic
    acid'}


""",
"""---
{IUPACname: !!python/unicode '(2s)-2-aminobutanedioic acid', formula: !!python/unicode 'C4H7NO4',
  inchi: !!python/unicode 'InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1',
  molfile: "5960\n  -OEChem-09210915002D\n\n 16 15  0     1  0  0  0  0  0999 V2000\n\
    \    6.8671   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369\
    \    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0010    1.4050\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -1.0950    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -1.0950    0.0000 N   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -0.0950    0.0000 C   0  0  1\
    \  0  0  0  0  0  0  0  0  0\n    4.2690    0.4050    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    5.6720   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    4.6675    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    3.8705    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5981\
    \   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6720   -1.4050\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4040    0.2150    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.0950    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n  1  8  1  0  0  0  0\n  1 15  1  0  0  0\
    \  0\n  2  9  1  0  0  0  0\n  2 16  1  0  0  0  0\n  3  8  2  0  0  0  0\n  4\
    \  9  2  0  0  0  0\n  6  5  1  1  0  0  0\n  5 13  1  0  0  0  0\n  5 14  1 \
    \ 0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  6 10  1  0  0  0\
    \  0\n  7  9  1  0  0  0  0\n  7 11  1  0  0  0  0\n  7 12  1  0  0  0  0\nM \
    \ END\n", name: !!python/unicode 'l-aspartic acid'}


""",
"""---
{IUPACname: !!python/unicode 'sodium chloride', formula: !!python/unicode 'CLNA',
  inchi: !!python/unicode 'InChI=1S/ClH.Na/h1H;/q;+1/p-1', molfile: "5234\n  -OEChem-09210915012D\n\
    \n  2  0  0     0  0  0  0  0  0999 V2000\n    3.0000    0.0000    0.0000 Cl \
    \ 0  5  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.0000    0.0000 Na  0  3\
    \  0  0  0  0  0  0  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END\n", name: !!python/unicode 'sodium
    chloride'}


""",
"""---
{IUPACname: !!python/unicode 'magnesium dichloride', formula: !!python/unicode 'CL2MG',
  inchi: !!python/unicode 'InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2', molfile: "24584\n \
    \ -OEChem-09210915022D\n\n  3  0  0     0  0  0  0  0  0999 V2000\n    3.7321\
    \    0.2500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.2500\
    \    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n    2.8660   -0.2500    0.0000\
    \ Mg  0  2  0  0  0  0  0  0  0  0  0  0\nM  CHG  3   1  -1   2  -1   3   2\n\
    M  END\n", name: !!python/unicode 'magnesium chloride'}


""",
"""---
{IUPACname: !!python/unicode '2-oxobutanedioate', formula: !!python/unicode 'C4H2O5-2',
  inchi: !!python/unicode 'InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-2',
  molfile: "164550\n  -OEChem-09210915152D\n\n 11 10  0     0  0  0  0  0  0999 V2000\n\
    \    4.5981   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000\
    \    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.8660   -1.2500\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3301   -0.2500    0.0000\
    \ O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.4641    1.2500    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.7321    0.2500    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    4.5981   -0.2500    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.1306    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    3.3335    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \  1  7  2  0  0  0  0\n  2  8  1  0  0  0  0\n  3  8  2  0  0  0  0\n  4  9 \
    \ 1  0  0  0  0\n  5  9  2  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0\
    \  0  0\n  6 10  1  0  0  0  0\n  6 11  1  0  0  0  0\n  7  9  1  0  0  0  0\n\
    M  CHG  2   2  -1   4  -1\nM  END\n", name: !!python/unicode 'oxaloacetate'}


""",
"""---
{IUPACname: !!python/unicode '2-hydroxybutanedioate', formula: !!python/unicode 'C4H4O5-2',
  inchi: !!python/unicode 'InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2',
  molfile: "160434\n  -OEChem-09210915162D\n\n 13 12  0     1  0  0  0  0  0999 V2000\n\
    \    4.5981   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3301\
    \   -0.0950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.4641    1.4050\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.4050    0.0000\
    \ O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.8660   -1.0950    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    4.5981   -0.0950    0.0000 C   0  0  3\
    \  0  0  0  0  0  0  0  0  0\n    3.7321    0.4050    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    5.4641    0.4050    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    2.8660   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    5.1350   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    4.1306    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    3.3335    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0611\
    \   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0  0\
    \  0  0\n  1 13  1  0  0  0  0\n  2  8  1  0  0  0  0\n  3  8  2  0  0  0  0\n\
    \  4  9  1  0  0  0  0\n  5  9  2  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8 \
    \ 1  0  0  0  0\n  6 10  1  0  0  0  0\n  7  9  1  0  0  0  0\n  7 11  1  0  0\
    \  0  0\n  7 12  1  0  0  0  0\nM  CHG  2   2  -1   4  -1\nM  END\n", name: !!python/unicode 'malic
    acid'}


""",
"""---
{IUPACname: !!python/unicode 'oxoiron; oxo(oxoferriooxy)iron', formula: !!python/unicode 'FE3O4',
  inchi: !!python/unicode 'InChI=1S/3Fe.4O', molfile: "16211978\n  -OEChem-09210915202D\n\
    \n  7  5  0     0  0  0  0  0  0999 V2000\n    2.5981    3.0000    0.0000 Fe \
    \ 0  0  0  0  0  0  0  0  0  0  0  0\n    0.8660    3.0000    0.0000 Fe  0  0\
    \  0  0  0  0  0  0  0  0  0  0\n    1.2321    0.0000    0.0000 Fe  0  0  0  0\
    \  0  0  0  0  0  0  0  0\n    1.7321    2.5000    0.0000 O   0  0  0  0  0  0\
    \  0  0  0  0  0  0\n    3.4641    2.5000    0.0000 O   0  0  0  0  0  0  0  0\
    \  0  0  0  0\n    0.0000    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0\
    \  0  0\n    2.2321    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \  1  4  1  0  0  0  0\n  1  5  2  0  0  0  0\n  2  4  1  0  0  0  0\n  2  6 \
    \ 2  0  0  0  0\n  3  7  2  0  0  0  0\nM  END\n", name: !!python/unicode 'magnetite'}


""",
"""---
{IUPACname: !!python/unicode 'dioxosilane', formula: !!python/unicode 'O2SI', inchi: !!python/unicode 'InChI=1S/O2Si/c1-3-2',
  molfile: "24261\n  -OEChem-09210915212D\n\n  3  2  0     0  0  0  0  0  0999 V2000\n\
    \    2.8660    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321\
    \    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000   -0.5000\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1\
    \  3  2  0  0  0  0\nM  END\n", name: !!python/unicode 'silicon dioxide'}


""",
"""---
{IUPACname: !!python/unicode '2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetic
    acid', formula: !!python/unicode 'C8H14N4O5', inchi: !!python/unicode 'InChI=1S/C8H14N4O5/c9-1-5(13)10-2-6(14)11-3-7(15)12-4-8(16)17/h1-4,9H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)',
  molfile: "69481\n  -OEChem-09210915222D\n\n 31 30  0     0  0  0  0  0  0999 V2000\n\
    \    8.5991    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0010\
    \   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1972   -1.2500\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369   -0.2500    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030    1.2500    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    7.7331   -0.2500    0.0000 N   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n   10.3312    0.2500    0.0000 N   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    5.1350    0.2500    0.0000 N   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n   12.9292   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    9.4651   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    8.5991    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0010\
    \   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690   -0.2500\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1972   -0.2500    0.0000\
    \ C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0632    0.2500    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.4030    0.2500    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    7.2656    0.7249    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    6.4685    0.7249    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    9.8637   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    9.0666   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    7.7331   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \   10.3312    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1350\
    \    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8705   -0.7249\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6675   -0.7249    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6647    0.7249    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n   12.4617    0.7249    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n   12.9292   -0.8700    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n   13.4662    0.0600    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n  1 12  2  0  0  0  0\n  2 13  2  0  0  0  0\n  3 15  2  0  0  0 \
    \ 0\n  4 17  1  0  0  0  0\n  4 31  1  0  0  0  0\n  5 17  2  0  0  0  0\n  6\
    \ 10  1  0  0  0  0\n  6 12  1  0  0  0  0\n  6 22  1  0  0  0  0\n  7 11  1 \
    \ 0  0  0  0\n  7 15  1  0  0  0  0\n  7 23  1  0  0  0  0\n  8 13  1  0  0  0\
    \  0\n  8 14  1  0  0  0  0\n  8 24  1  0  0  0  0\n  9 16  1  0  0  0  0\n  9\
    \ 29  1  0  0  0  0\n  9 30  1  0  0  0  0\n 10 13  1  0  0  0  0\n 10 18  1 \
    \ 0  0  0  0\n 10 19  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 20  1  0  0  0\
    \  0\n 11 21  1  0  0  0  0\n 14 17  1  0  0  0  0\n 14 25  1  0  0  0  0\n 14\
    \ 26  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 27  1  0  0  0  0\n 16 28  1 \
    \ 0  0  0  0\nM  END\n", name: !!python/unicode 'tetraglycine'}


""",
"""---
{IUPACname: !!python/unicode 'formaldehyde', formula: !!python/unicode 'CH2O', inchi: !!python/unicode 'InChI=1S/CH2O/c1-2/h1H2',
  molfile: "712\n  -OEChem-09210915222D\n\n  4  3  0     0  0  0  0  0  0999 V2000\n\
    \    3.4030    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369\
    \    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.3700\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369   -0.5600    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0\
    \  0  0  0\n  2  4  1  0  0  0  0\nM  END\n", name: !!python/unicode 'formaldehyde'}


""",
"""---
{IUPACname: !!python/unicode 'oxaldehydic acid', formula: !!python/unicode 'C2H2O3',
  inchi: !!python/unicode 'InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)', molfile: "760\n\
    \  -OEChem-09210915232D\n\n  7  6  0     0  0  0  0  0  0999 V2000\n    2.5369\
    \    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -1.0600\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -0.0600    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -0.0600    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.4400    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    4.2690    1.0600    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.0000    0.1300    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n  1  4  1  0  0  0  0\n  1  7  1  0  0  0  0\n  2  4  2  0 \
    \ 0  0  0\n  3  5  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n\
    M  END\n", name: !!python/unicode 'glyoxylic acid'}


""",
"""---
{IUPACname: !!python/unicode '2-oxopropanoic acid', formula: !!python/unicode 'C3H4O3',
  inchi: !!python/unicode 'InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)', molfile: "1060\n\
    \  -OEChem-09210915242D\n\n 10  9  0     0  0  0  0  0  0999 V2000\n    2.5369\
    \    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    1.2500\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -1.2500    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.2500    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -0.2500    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.4030   -0.2500    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.8250   -0.7869    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.6720   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    5.4450    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \  1  6  1  0  0  0  0\n  1 10  1  0  0  0  0\n  2  4  2  0  0  0  0\n  3  6 \
    \ 2  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  5  7  1  0  0\
    \  0  0\n  5  8  1  0  0  0  0\n  5  9  1  0  0  0  0\nM  END\n", name: !!python/unicode 'pyruvic
    acid'}


""",
"""---
{IUPACname: !!python/unicode '2-(methylamino)acetic acid', formula: !!python/unicode 'C3H7NO2',
  inchi: !!python/unicode 'InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)', molfile: "1088\n\
    \  -OEChem-09210915272D\n\n 13 12  0     0  0  0  0  0  0999 V2000\n    2.5369\
    \    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -0.7500\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1350    0.2500    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.7500    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    6.0010    0.7500    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.4030    0.2500    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.6675    1.2250    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.8705    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    5.1350   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    6.3110    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    6.5380    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6910\
    \    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.4400\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0  0  0  0\n  1\
    \ 13  1  0  0  0  0\n  2  6  2  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1 \
    \ 0  0  0  0\n  3  9  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0\
    \  0\n  4  8  1  0  0  0  0\n  5 10  1  0  0  0  0\n  5 11  1  0  0  0  0\n  5\
    \ 12  1  0  0  0  0\nM  END\n", name: !!python/unicode 'sarcosine'}


""",
"""---
{IUPACname: !!python/unicode '3-aminopropanoic acid', formula: !!python/unicode 'C3H7NO2',
  inchi: !!python/unicode 'InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)', molfile: "239\n\
    \  -OEChem-09210915282D\n\n 13 12  0     0  0  0  0  0  0999 V2000\n    2.5369\
    \    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -1.0600\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0010    0.4400    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.4400    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -0.0600    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.4030   -0.0600    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.6675    0.9149    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.8705    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.7365   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    5.5335   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    6.5380    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0010\
    \    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.1300\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0  0  0  0\n  1\
    \ 13  1  0  0  0  0\n  2  6  2  0  0  0  0\n  3  5  1  0  0  0  0\n  3 11  1 \
    \ 0  0  0  0\n  3 12  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0\
    \  0\n  4  7  1  0  0  0  0\n  4  8  1  0  0  0  0\n  5  9  1  0  0  0  0\n  5\
    \ 10  1  0  0  0  0\nM  END\n", name: !!python/unicode 'beta-alanine'}


""",
"""---
{IUPACname: !!python/unicode '4-aminobutanoic acid hydrochloride', formula: !!python/unicode 'C4H10CLNO2',
  inchi: !!python/unicode 'InChI=1S/C4H9NO2.ClH/c5-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H',
  molfile: "210329\n  -OEChem-09210915292D\n\n 18 16  0     0  0  0  0  0  0999 V2000\n\
    \    2.2020    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    0.5369\
    \    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4030    2.5000\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8671    3.5000    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1350    3.5000    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    2.2690    4.0000    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    4.0010    4.0000    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    1.4030    3.5000    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    2.7365    3.0251    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    3.5335    3.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.6675    4.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    1.8705    4.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3996\
    \    4.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6025    4.4749\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4040    3.8100    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8671    2.8800    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    3.6900    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.2020    0.0000    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n  1 18  1  0  0  0  0\n  2  8  1  0  0  0  0\n  2 17 \
    \ 1  0  0  0  0\n  3  8  2  0  0  0  0\n  4  7  1  0  0  0  0\n  4 15  1  0  0\
    \  0  0\n  4 16  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n\
    \  5  9  1  0  0  0  0\n  5 10  1  0  0  0  0\n  6  8  1  0  0  0  0\n  6 11 \
    \ 1  0  0  0  0\n  6 12  1  0  0  0  0\n  7 13  1  0  0  0  0\n  7 14  1  0  0\
    \  0  0\nM  END\n", name: !!python/unicode 'gamma-aminobutyric acid'}


""",
"""---
{IUPACname: !!python/unicode '2,4-diamino-4-oxobutanoic acid', formula: !!python/unicode 'C4H8N2O3',
  inchi: !!python/unicode 'InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)',
  molfile: "236\n  -OEChem-09210915302D\n\n 17 16  0     1  0  0  0  0  0999 V2000\n\
    \    6.8671   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0010\
    \    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -1.0950\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -1.0950    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369    0.4050    0.0000 N   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -0.0950    0.0000 C   0  0  3\
    \  0  0  0  0  0  0  0  0  0\n    4.2690    0.4050    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    5.8711   -0.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    4.6675    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    3.8705    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5981\
    \   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6720   -1.4050\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.0950    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369    1.0250    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    7.4040    0.2150    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n  1  8  1  0  0  0  0\n  1 17  1  0  0  0  0\n \
    \ 2  8  2  0  0  0  0\n  3  9  2  0  0  0  0\n  4  6  1  0  0  0  0\n  4 13  1\
    \  0  0  0  0\n  4 14  1  0  0  0  0\n  5  9  1  0  0  0  0\n  5 15  1  0  0 \
    \ 0  0\n  5 16  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n\
    \  6 10  1  0  0  0  0\n  7  9  1  0  0  0  0\n  7 11  1  0  0  0  0\n  7 12 \
    \ 1  0  0  0  0\nM  END\n", name: !!python/unicode 'asparagine'}


""",
"""---
{IUPACname: !!python/unicode '(2s)-2-amino-3-methylbutanoic acid', formula: !!python/unicode 'C5H11NO2',
  inchi: !!python/unicode 'InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1',
  molfile: "6287\n  -OEChem-09210915322D\n\n 19 18  0     1  0  0  0  0  0999 V2000\n\
    \    5.1350    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690\
    \    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369    0.5000\
    \    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -1.0000    0.0000\
    \ C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030    0.0000    0.0000 C   0\
    \  0  1  0  0  0  0  0  0  0  0  0\n    2.5369   -1.5000    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    4.2690   -1.5000    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.4030   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    3.4030    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.2269   -0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    2.0000   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8469\
    \   -2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9590   -2.0369\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8059   -1.8100    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5790   -0.9631    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.1900    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    2.5369    1.1200    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    5.6720    0.3100    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n  1  8  1  0  0  0  0\n  1 19  1  0  0  0  0\n  2  8  2  0 \
    \ 0  0  0\n  5  3  1  6  0  0  0\n  3 17  1  0  0  0  0\n  3 18  1  0  0  0  0\n\
    \  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\n  4  9 \
    \ 1  0  0  0  0\n  5  8  1  0  0  0  0\n  5 10  1  0  0  0  0\n  6 11  1  0  0\
    \  0  0\n  6 12  1  0  0  0  0\n  6 13  1  0  0  0  0\n  7 14  1  0  0  0  0\n\
    \  7 15  1  0  0  0  0\n  7 16  1  0  0  0  0\nM  END\n", name: !!python/unicode 'valine'}


""",
"""---
{IUPACname: !!python/unicode '(2s)-2-amino-3-phenylpropanoic acid', formula: !!python/unicode 'C9H11NO2',
  inchi: !!python/unicode 'InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1',
  molfile: "6140\n  -OEChem-09210915322D\n\n 23 23  0     1  0  0  0  0  0999 V2000\n\
    \    4.5981    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660\
    \    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5981    0.1900\
    \    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.1900    0.0000\
    \ C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321    0.6900    0.0000 C   0\
    \  0  1  0  0  0  0  0  0  0  0  0\n    2.8660   -0.8100    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.7321   -1.3100    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.7321    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    3.7321   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6540\
    \    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2554    0.0823\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321    0.0700    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690   -1.0000    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    1.4631   -1.0000    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    5.1350    0.5000    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.5981   -0.4300    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    4.2690   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    1.4631   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.8660   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    4.5981    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  9\
    \  1  0  0  0  0\n  1 23  1  0  0  0  0\n  2  9  2  0  0  0  0\n  5  3  1  1 \
    \ 0  0  0\n  3 18  1  0  0  0  0\n  3 19  1  0  0  0  0\n  4  5  1  0  0  0  0\n\
    \  4  6  1  0  0  0  0\n  4 13  1  0  0  0  0\n  4 14  1  0  0  0  0\n  5  9 \
    \ 1  0  0  0  0\n  5 15  1  0  0  0  0\n  6  7  2  0  0  0  0\n  6  8  1  0  0\
    \  0  0\n  7 10  1  0  0  0  0\n  7 16  1  0  0  0  0\n  8 11  2  0  0  0  0\n\
    \  8 17  1  0  0  0  0\n 10 12  2  0  0  0  0\n 10 20  1  0  0  0  0\n 11 12 \
    \ 1  0  0  0  0\n 11 21  1  0  0  0  0\n 12 22  1  0  0  0  0\nM  END\n", name: !!python/unicode 'phenylalanine'}


""",
"""---
{IUPACname: !!python/unicode '(2s)-2-amino-3-(4-hydroxyphenyl)propanoic acid', formula: !!python/unicode 'C9H11NO3',
  inchi: !!python/unicode 'InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1',
  molfile: "6057\n  -OEChem-09210915332D\n\n 24 24  0     1  0  0  0  0  0999 V2000\n\
    \    4.5981    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660\
    \   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    2.8450\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5981    0.8450    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.8450    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.7321    1.3450    0.0000 C   0  0  1\
    \  0  0  0  0  0  0  0  0  0\n    2.8660   -0.1550    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    3.7321   -0.6550    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    2.0000   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    3.7321    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    3.7321   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    2.0000   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660\
    \   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6540    1.4276\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2554    0.7373    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321    0.7250    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    4.2690   -0.3450    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    1.4631   -0.3450    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    5.1350    1.1550    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    4.5981    0.2250    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.2690   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    1.4631   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    4.5981    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3291\
    \   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1 10  1  0  0\
    \  0  0\n  1 23  1  0  0  0  0\n  2 13  1  0  0  0  0\n  2 24  1  0  0  0  0\n\
    \  3 10  2  0  0  0  0\n  6  4  1  1  0  0  0\n  4 19  1  0  0  0  0\n  4 20 \
    \ 1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  5 14  1  0  0\
    \  0  0\n  5 15  1  0  0  0  0\n  6 10  1  0  0  0  0\n  6 16  1  0  0  0  0\n\
    \  7  8  2  0  0  0  0\n  7  9  1  0  0  0  0\n  8 11  1  0  0  0  0\n  8 17 \
    \ 1  0  0  0  0\n  9 12  2  0  0  0  0\n  9 18  1  0  0  0  0\n 11 13  2  0  0\
    \  0  0\n 11 21  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 22  1  0  0  0  0\n\
    M  END\n", name: !!python/unicode 'tyrosine'}


""",
"""---
{IUPACname: !!python/unicode 'dioxosilane; oxo(oxoalumanyloxy)alumane; hydrate', formula: !!python/unicode 'AL2H2O12SI4',
  inchi: !!python/unicode 'InChI=1S/2Al.4O2Si.H2O.3O/c;;4*1-3-2;;;;/h;;;;;;1H2;;;',
  molfile: "16211228\n  -OEChem-09210916042D\n\n 20 14  0     0  0  0  0  0  0999\
    \ V2000\n    3.9399    0.5000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    3.9399    3.5000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    3.9399\
    \    6.5000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    3.9399    9.5000\
    \    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    7.6719    5.2500    0.0000\
    \ Al  0  0  0  0  0  0  0  0  0  0  0  0\n    9.4040    5.2500    0.0000 Al  0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    8.5380    4.7500    0.0000 O   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    6.8059    4.7500    0.0000 O   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n   10.2700    4.7500    0.0000 O   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.0739    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.8059    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    3.0739    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    4.8059    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0739\
    \    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8059    7.0000\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0739    9.0000    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8059   10.0000    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    0.5369    4.7500    0.0000 O   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    1.0739    5.0600    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    0.0000    5.0600    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n  1 10  2  0  0  0  0\n  1 11  2  0  0  0  0\n  2 12  2  0 \
    \ 0  0  0\n  2 13  2  0  0  0  0\n  3 14  2  0  0  0  0\n  3 15  2  0  0  0  0\n\
    \  4 16  2  0  0  0  0\n  4 17  2  0  0  0  0\n  5  7  1  0  0  0  0\n  5  8 \
    \ 2  0  0  0  0\n  6  7  1  0  0  0  0\n  6  9  2  0  0  0  0\n 18 19  1  0  0\
    \  0  0\n 18 20  1  0  0  0  0\nM  END\n", name: !!python/unicode 'montmorillonite'}


""",
"""---
{IUPACname: !!python/unicode 'thiocyanate', formula: !!python/unicode 'CNS-', inchi: !!python/unicode 'InChI=1S/CHNS/c2-1-3/h3H/p-1',
  molfile: "9322\n  -OEChem-09210916052D\n\n  3  2  0     0  0  0  0  0  0999 V2000\n\
    \    3.7321    0.5000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0\n    2.0000\
    \   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.0000\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3  1  0  0  0  0\n  2\
    \  3  3  0  0  0  0\nM  CHG  1   1  -1\nM  END\n", name: !!python/unicode 'thiocyanate'}


""",
"""---
{IUPACname: !!python/unicode 'thiourea', formula: !!python/unicode 'CH4N2S', inchi: !!python/unicode 'InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)',
  molfile: "2723790\n  -OEChem-09210916082D\n\n  8  7  0     0  0  0  0  0  0999 V2000\n\
    \    3.4030   -1.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690\
    \    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369    0.4400\
    \    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -0.0600    0.0000\
    \ C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8059    0.1300    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    1.0600    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    2.0000    0.1300    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.5369    1.0600    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n  1  4  2  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  1  0 \
    \ 0  0  0\n  2  6  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3  7  1  0  0  0  0\n\
    \  3  8  1  0  0  0  0\nM  END\n", name: !!python/unicode 'thiourea'}


""",
"""---
{IUPACname: !!python/unicode '(2r)-2-amino-3-sulfanylpropanoic acid', formula: !!python/unicode 'C3H7NO2S',
  inchi: !!python/unicode 'InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1',
  molfile: "5862\n  -OEChem-09210916082D\n\n 14 13  0     1  0  0  0  0  0999 V2000\n\
    \    2.5369   -1.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1350\
    \    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    1.8100\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369    0.8100    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030    0.3100    0.0000 C   0\
    \  0  1  0  0  0  0  0  0  0  0  0\n    3.4030   -0.6900    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    4.2690    0.8100    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    3.4030    0.9300    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.6150   -1.2726    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.0135   -0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.0000    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    2.5369    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369\
    \   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6720    0.6200\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0  0  0  0\n  1\
    \ 13  1  0  0  0  0\n  2  7  1  0  0  0  0\n  2 14  1  0  0  0  0\n  3  7  2 \
    \ 0  0  0  0\n  5  4  1  6  0  0  0\n  4 11  1  0  0  0  0\n  4 12  1  0  0  0\
    \  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  6\
    \  9  1  0  0  0  0\n  6 10  1  0  0  0  0\nM  END\n", name: !!python/unicode 'cysteine'}


""",
"""---
{IUPACname: !!python/unicode 'dihydrogen phosphate', formula: !!python/unicode 'H2O4P-',
  inchi: !!python/unicode 'InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1', molfile: "1003\n\
    \  -OEChem-09210916092D\n\n  7  6  0     0  0  0  0  0  0999 V2000\n    3.4030\
    \    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.5000\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369   -0.5000    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9030    0.8660    0.0000 O   0\
    \  5  0  0  0  0  0  0  0  0  0  0\n    3.9030   -0.8660    0.0000 O   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    4.8059    0.1900    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.0000   -0.1900    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0 \
    \ 0  0  0\n  1  5  2  0  0  0  0\n  2  6  1  0  0  0  0\n  3  7  1  0  0  0  0\n\
    M  CHG  1   4  -1\nM  END\n", name: !!python/unicode 'dihydrogen phosphate'}


""",
"""---
{IUPACname: !!python/unicode '1h-pyrimidine-2,4-dione', formula: !!python/unicode 'C4H4N2O2',
  inchi: !!python/unicode 'InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)',
  molfile: "1174\n  -OEChem-09210916352D\n\n 12 12  0     0  0  0  0  0  0999 V2000\n\
    \    2.0000   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4641\
    \   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -0.6900\
    \    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.8100    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660   -0.1900    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    4.5981   -0.1900    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.7321    1.3100    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.5981    0.8100    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.7321   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    2.3291    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    5.1350    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    3.7321    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  5\
    \  2  0  0  0  0\n  2  6  2  0  0  0  0\n  3  5  1  0  0  0  0\n  3  6  1  0 \
    \ 0  0  0\n  3  9  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  7  1  0  0  0  0\n\
    \  4 10  1  0  0  0  0\n  6  8  1  0  0  0  0\n  7  8  2  0  0  0  0\n  7 12 \
    \ 1  0  0  0  0\n  8 11  1  0  0  0  0\nM  END\n", name: !!python/unicode 'uracil'}


""",
"""---
{IUPACname: !!python/unicode '2-formamidoacetic acid', formula: !!python/unicode 'C3H5NO3',
  inchi: !!python/unicode 'InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7)',
  molfile: "75606\n  -OEChem-09210916352D\n\n 12 11  0     0  0  0  0  0  0999 V2000\n\
    \    6.0010    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1350\
    \   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369    1.2500\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030   -0.2500    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.2500    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    5.1350   -0.2500    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    2.5369    0.2500    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.6675    0.7249    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.8705    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    3.4030   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    6.5380   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6\
    \  1  0  0  0  0\n  1 12  1  0  0  0  0\n  2  6  2  0  0  0  0\n  3  7  2  0 \
    \ 0  0  0\n  4  5  1  0  0  0  0\n  4  7  1  0  0  0  0\n  4 10  1  0  0  0  0\n\
    \  5  6  1  0  0  0  0\n  5  8  1  0  0  0  0\n  5  9  1  0  0  0  0\n  7 11 \
    \ 1  0  0  0  0\nM  END\n", name: !!python/unicode 'n-formylglycine'}


""",
"""---
{IUPACname: !!python/unicode 'cyanamide', formula: !!python/unicode 'CH2N2', inchi: !!python/unicode 'InChI=1S/CH2N2/c2-1-3/h2H2',
  molfile: "9864\n  -OEChem-09210916362D\n\n  5  4  0     0  0  0  0  0  0999 V2000\n\
    \    2.5369   -0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2690\
    \    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030    0.3100\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.1200    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369   -0.8100    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0\
    \  0\n  1  5  1  0  0  0  0\n  2  3  3  0  0  0  0\nM  END\n", name: !!python/unicode 'carbodiimide'}


""",
"""---
{IUPACname: !!python/unicode '7h-purine', formula: !!python/unicode 'C5H4N4', inchi: !!python/unicode 'InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)',
  molfile: "1044\n  -OEChem-09210916362D\n\n 13 14  0     0  0  0  0  0  0999 V2000\n\
    \    4.6783    0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6783\
    \   -1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660   -1.1970\
    \    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.3030    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321    0.3030    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -0.6970    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    2.8660    0.8030    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    5.2619   -0.1970    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    2.0000   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.8709    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.8660    1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    5.8819   -0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4631\
    \   -1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  5  1  0  0\
    \  0  0\n  1  8  1  0  0  0  0\n  1 10  1  0  0  0  0\n  2  6  1  0  0  0  0\n\
    \  2  8  2  0  0  0  0\n  3  6  2  0  0  0  0\n  3  9  1  0  0  0  0\n  4  7 \
    \ 1  0  0  0  0\n  4  9  2  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  2  0  0\
    \  0  0\n  7 11  1  0  0  0  0\n  8 12  1  0  0  0  0\n  9 13  1  0  0  0  0\n\
    M  END\n", name: !!python/unicode 'purine'}


""",
"""---
{IUPACname: !!python/unicode '1,3-diazinane-2,4-dione', formula: !!python/unicode 'C4H6N2O2',
  inchi: !!python/unicode 'InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)',
  molfile: "649\n  -OEChem-09210916372D\n\n 14 14  0     0  0  0  0  0  0999 V2000\n\
    \    5.4641   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000\
    \   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.8100\
    \    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -0.6900    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321    1.3100    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    4.5981    0.8100    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    4.5981   -0.1900    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.8660   -0.1900    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    4.1306    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    3.3335    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    5.2087    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    4.8101    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3291\
    \    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -1.3100\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  7  2  0  0  0  0\n  2\
    \  8  2  0  0  0  0\n  3  5  1  0  0  0  0\n  3  8  1  0  0  0  0\n  3 13  1 \
    \ 0  0  0  0\n  4  7  1  0  0  0  0\n  4  8  1  0  0  0  0\n  4 14  1  0  0  0\
    \  0\n  5  6  1  0  0  0  0\n  5  9  1  0  0  0  0\n  5 10  1  0  0  0  0\n  6\
    \  7  1  0  0  0  0\n  6 11  1  0  0  0  0\n  6 12  1  0  0  0  0\nM  END\n",
  name: !!python/unicode 'dihydrouracil'}


""",
"""---
{IUPACname: !!python/unicode '3,7-dihydropurin-6-one', formula: !!python/unicode 'C5H4N4O',
  inchi: !!python/unicode 'InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)',
  molfile: "790\n  -OEChem-09210916372D\n\n 14 15  0     0  0  0  0  0  0999 V2000\n\
    \    2.8660    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6783\
    \    0.6147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660   -1.1900\
    \    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6783   -0.9947    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.3100    0.0000 N   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.7321    0.3100    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.7321   -0.6900    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.2619   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    2.0000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    4.8709    1.2041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    2.8660   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8819\
    \   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4631   -1.0000\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  8  2  0  0  0  0\n  2\
    \  6  1  0  0  0  0\n  2  9  1  0  0  0  0\n  2 11  1  0  0  0  0\n  3  7  1 \
    \ 0  0  0  0\n  3 10  1  0  0  0  0\n  3 12  1  0  0  0  0\n  4  7  1  0  0  0\
    \  0\n  4  9  2  0  0  0  0\n  5  8  1  0  0  0  0\n  5 10  2  0  0  0  0\n  6\
    \  7  2  0  0  0  0\n  6  8  1  0  0  0  0\n  9 13  1  0  0  0  0\n 10 14  1 \
    \ 0  0  0  0\nM  END\n", name: !!python/unicode 'hypoxanthine'}


""",
"""---
{IUPACname: !!python/unicode '(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol',
  formula: !!python/unicode 'C10H13N5O4', inchi: !!python/unicode 'InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1',
  molfile: "60961\n  -OEChem-09210916382D\n\n 32 34  0     1  0  0  0  0  0999 V2000\n\
    \    5.9405    0.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4026\
    \    1.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6844    3.0874\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6651    2.0032    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6783   -0.4327    0.0000 N   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    4.6783   -2.0422    0.0000 N   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    2.8660   -0.2375    0.0000 N   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.0000   -1.7375    0.0000 N   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    2.8660   -3.2375    0.0000 N   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.4026    1.3278    0.0000 C   0  0  1  0  0  0  0  0  0  0  0\
    \  0\n    4.9889    0.5178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n\
    \    4.9917    2.1358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    5.9422\
    \    1.8252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.7523    2.4116\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -0.7375    0.0000\
    \ C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2619   -1.2375    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.7321   -1.7375    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    2.8660   -2.2375    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.0000   -0.7375    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    4.1220    1.8807    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    5.4266    0.0786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    5.4309    2.5735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    6.4942    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0999\
    \    2.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3070    2.8430\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0935    1.8670    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1000    3.5475    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    5.8819   -1.2375    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    8.1674    2.3668    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    1.4631   -0.4275    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    2.3291   -3.5475    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    3.4030   -3.5475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n  1 11  1  0  0  0  0\n  1 13  1  0  0  0  0\n 10  2  1  6  0  0  0\n  2\
    \ 26  1  0  0  0  0\n 12  3  1  6  0  0  0\n  3 27  1  0  0  0  0\n  4 14  1 \
    \ 0  0  0  0\n  4 29  1  0  0  0  0\n 11  5  1  1  0  0  0\n  5 15  1  0  0  0\
    \  0\n  5 16  1  0  0  0  0\n  6 16  2  0  0  0  0\n  6 17  1  0  0  0  0\n  7\
    \ 15  1  0  0  0  0\n  7 19  2  0  0  0  0\n  8 18  2  0  0  0  0\n  8 19  1 \
    \ 0  0  0  0\n  9 18  1  0  0  0  0\n  9 31  1  0  0  0  0\n  9 32  1  0  0  0\
    \  0\n 10 11  1  0  0  0  0\n 10 12  1  0  0  0  0\n 10 20  1  0  0  0  0\n 11\
    \ 21  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 22  1  0  0  0  0\n 13 14  1 \
    \ 1  0  0  0\n 13 23  1  0  0  0  0\n 14 24  1  0  0  0  0\n 14 25  1  0  0  0\
    \  0\n 15 17  2  0  0  0  0\n 16 28  1  0  0  0  0\n 17 18  1  0  0  0  0\n 19\
    \ 30  1  0  0  0  0\nM  END\n", name: !!python/unicode 'adenosine'}


""",
"""---
{IUPACname: !!python/unicode '[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl
    dihydrogen phosphate', formula: !!python/unicode 'C10H14N5O7P', inchi: !!python/unicode 'InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1',
  molfile: "6083\n  -OEChem-09210916392D\n\n 37 39  0     1  0  0  0  0  0999 V2000\n\
    \    8.4752    2.5896    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9405\
    \    0.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4026    1.3296\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6844    3.0874    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6651    2.0032    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    9.2852    3.1760    0.0000 O   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    9.0615    1.7796    0.0000 O   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    7.8888    3.3997    0.0000 O   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    4.6783   -0.4327    0.0000 N   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.6783   -2.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.8660   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    2.0000   -1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660\
    \   -3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4026    1.3278\
    \    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    4.9917    2.1358    0.0000\
    \ C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.9889    0.5178    0.0000 C   0\
    \  0  1  0  0  0  0  0  0  0  0  0\n    5.9422    1.8252    0.0000 C   0  0  1\
    \  0  0  0  0  0  0  0  0  0\n    6.7523    2.4116    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    3.7321   -0.7375    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.2619   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    3.7321   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    2.8660   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    2.0000   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1220\
    \    1.8807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4309    2.5735\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4266    0.0786    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4942    1.5427    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    7.0999    2.9250    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    6.3070    2.8430    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    3.0935    1.8670    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.1000    3.5475    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    5.8819   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    1.4631   -0.4275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    2.3291   -3.5475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4030\
    \   -3.5475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8512    2.9229\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8084    1.2136    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  5  1  0  0  0  0\n  1  6  1  0\
    \  0  0  0\n  1  7  1  0  0  0  0\n  1  8  2  0  0  0  0\n  2 16  1  0  0  0 \
    \ 0\n  2 17  1  0  0  0  0\n 14  3  1  6  0  0  0\n  3 30  1  0  0  0  0\n 15\
    \  4  1  6  0  0  0\n  4 31  1  0  0  0  0\n  5 18  1  0  0  0  0\n  6 36  1 \
    \ 0  0  0  0\n  7 37  1  0  0  0  0\n 16  9  1  1  0  0  0\n  9 19  1  0  0  0\
    \  0\n  9 20  1  0  0  0  0\n 10 20  2  0  0  0  0\n 10 21  1  0  0  0  0\n 11\
    \ 19  1  0  0  0  0\n 11 23  2  0  0  0  0\n 12 22  2  0  0  0  0\n 12 23  1 \
    \ 0  0  0  0\n 13 22  1  0  0  0  0\n 13 34  1  0  0  0  0\n 13 35  1  0  0  0\
    \  0\n 14 15  1  0  0  0  0\n 14 16  1  0  0  0  0\n 14 24  1  0  0  0  0\n 15\
    \ 17  1  0  0  0  0\n 15 25  1  0  0  0  0\n 16 26  1  0  0  0  0\n 17 18  1 \
    \ 1  0  0  0\n 17 27  1  0  0  0  0\n 18 28  1  0  0  0  0\n 18 29  1  0  0  0\
    \  0\n 19 21  2  0  0  0  0\n 20 32  1  0  0  0  0\n 21 22  1  0  0  0  0\n 23\
    \ 33  1  0  0  0  0\nM  END\n", name: !!python/unicode 'adenosine monophosphate'}


""",
"""---
{IUPACname: !!python/unicode 'imidazolidine-2,4,5-trione', formula: !!python/unicode 'C3H2N2O3',
  inchi: !!python/unicode 'InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)',
  molfile: "67126\n  -OEChem-09210916392D\n\n 10 10  0     0  0  0  0  0  0999 V2000\n\
    \    2.0000   -0.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6723\
    \    1.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5202   -0.5852\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7601   -0.8639    0.0000\
    \ N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2601    0.6749    0.0000 N   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    2.9511   -0.2761    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.2601    0.6749    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.5691   -0.2761    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.7601   -1.4839    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.6245    1.1765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n  1  6  2  0  0  0  0\n  2  7  2  0  0  0  0\n  3  8  2  0  0  0  0\n  4\
    \  6  1  0  0  0  0\n  4  8  1  0  0  0  0\n  4  9  1  0  0  0  0\n  5  7  1 \
    \ 0  0  0  0\n  5  8  1  0  0  0  0\n  5 10  1  0  0  0  0\n  6  7  1  0  0  0\
    \  0\nM  END\n", name: !!python/unicode 'parabanic acid'}


""",
"""---
{IUPACname: !!python/unicode 'oxo(oxoalumanyloxy)alumane', formula: !!python/unicode 'AL2O3',
  inchi: !!python/unicode 'InChI=1S/2Al.3O', molfile: "14769\n  -OEChem-09230915132D\n\
    \n  5  4  0     0  0  0  0  0  0999 V2000\n    4.5981    0.2500    0.0000 Al \
    \ 0  0  0  0  0  0  0  0  0  0  0  0\n    2.8660    0.2500    0.0000 Al  0  0\
    \  0  0  0  0  0  0  0  0  0  0\n    3.7321   -0.2500    0.0000 O   0  0  0  0\
    \  0  0  0  0  0  0  0  0\n    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0\
    \  0  0  0  0  0  0\n    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0\
    \  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\n  2  3  1  0  0 \
    \ 0  0\n  2  5  2  0  0  0  0\nM  END\n", name: !!python/unicode 'alumina'}


""",
"""---
{IUPACname: !!python/unicode 'alumanylidyneoxidanium', formula: !!python/unicode 'ALO+',
  inchi: !!python/unicode 'InChI=1S/Al.O/q;+1', molfile: "518957\n  -OEChem-09230915142D\n\
    \n  2  1  0     0  0  0  0  0  0999 V2000\n    3.0000    0.0000    0.0000 Al \
    \ 0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.0000    0.0000 O   0  3\
    \  0  0  0  0  0  0  0  0  0  0\n  1  2  3  0  0  0  0\nM  CHG  1   2   1\nM \
    \ END\n", name: !!python/unicode 'aluminum oxide'}


""",
"""---
{IUPACname: !!python/unicode '', formula: !!python/unicode 'C13H11NO', inchi: !!python/unicode 'InChI=1S/C13H11NO/c1-2-9-10(14-7-1)5-3-8-4-6-11-13(15-11)12(8)9/h1-3,5,7,11,13H,4,6H2',
  molfile: "147340\n  -OEChem-09230915152D\n\n 26 29  0     1  0  0  0  0  0999 V2000\n\
    \    2.0000    1.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6229\
    \   -2.0559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8665    2.0984\
    \    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0\n    2.8665    1.0984    0.0000\
    \ C   0  0  3  0  0  0  0  0  0  0  0  0\n    3.7326    2.5984    0.0000 C   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.7326    0.5984    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    4.5986    2.0984    0.0000 C   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.5986    1.0984    0.0000 C   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    3.7165   -0.4431    0.0000 C   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    5.5086    0.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    4.6145   -0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    5.5166   -0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7646\
    \   -0.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7479   -2.0486\
    \    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6833   -2.5984    0.0000\
    \ C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5566    2.6353    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    2.5566    0.5614    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    4.1311    3.0733    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    3.3340    3.0733    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.2092    1.9907    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.8106    2.6810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    6.0419    0.9077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    6.0548   -0.7580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2337\
    \   -0.6435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2074   -2.3524\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6809   -3.2184    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0\
    \  0  0  0\n  2 11  1  0  0  0  0\n  2 15  2  0  0  0  0\n  3  4  1  0  0  0 \
    \ 0\n  3  5  1  0  0  0  0\n  3 16  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4\
    \ 17  1  0  0  0  0\n  5  7  1  0  0  0  0\n  5 18  1  0  0  0  0\n  5 19  1 \
    \ 0  0  0  0\n  6  8  2  0  0  0  0\n  6  9  1  0  0  0  0\n  7  8  1  0  0  0\
    \  0\n  7 20  1  0  0  0  0\n  7 21  1  0  0  0  0\n  8 10  1  0  0  0  0\n  9\
    \ 11  2  0  0  0  0\n  9 13  1  0  0  0  0\n 10 12  2  0  0  0  0\n 10 22  1 \
    \ 0  0  0  0\n 11 12  1  0  0  0  0\n 12 23  1  0  0  0  0\n 13 14  2  0  0  0\
    \  0\n 13 24  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 25  1  0  0  0  0\n 15\
    \ 26  1  0  0  0  0\nM  END\n", name: !!python/unicode 'kaolin'}


""",
"""---
{IUPACname: !!python/unicode 'calcium carbonate', formula: !!python/unicode 'CACO3',
  inchi: !!python/unicode 'InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2', molfile: "10112\n\
    \  -OEChem-09230915182D\n\n  5  3  0     0  0  0  0  0  0999 V2000\n    2.0000\
    \    0.8536    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.8536\
    \    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.0000   -0.1464    0.0000\
    \ O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.7071   -0.8536    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -0.1464    0.0000 C   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n  2  5  1  0  0  0  0\n  3  5  1  0  0  0  0\n \
    \ 4  5  2  0  0  0  0\nM  CHG  3   1   2   2  -1   3  -1\nM  END\n", name: !!python/unicode 'calcium
    carbonate'}


""",
"""---
{IUPACname: !!python/unicode 'dioxotitanium', formula: !!python/unicode 'TIO2', inchi: !!python/unicode 'InChI=1S/2O.Ti',
  molfile: "26042\n  -OEChem-09230915202D\n\n  3  2  0     0  0  0  0  0  0999 V2000\n\
    \    2.8660    0.0000    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0\n    3.7321\
    \    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000   -0.5000\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1\
    \  3  2  0  0  0  0\nM  END\n", name: !!python/unicode 'titanium dioxide'}


""",
"""---
{IUPACname: !!python/unicode 'iron; magnesium; silicic acid', formula: !!python/unicode 'FEH8MG3O8SI2',
  inchi: !!python/unicode 'InChI=1S/Fe.3Mg.2H4O4Si/c;;;;2*1-5(2,3)4/h;;;;2*1-4H',
  molfile: "6336632\n  -OEChem-09230915232D\n\n 22 16  0     0  0  0  0  0  0999 V2000\n\
    \    5.9589    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0\n    1.4030\
    \    5.1530    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    6.2089    6.4030\
    \    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    9.6118    4.9030    0.0000\
    \ Mg  0  0  0  0  0 15  0  0  0  0  0  0\n    5.9589    9.8059    0.0000 Mg  0\
    \  0  0  0  0 15  0  0  0  0  0  0\n    5.9589    2.5000    0.0000 Mg  0  0  0\
    \  0  0 15  0  0  0  0  0  0\n    1.9030    4.2869    0.0000 O   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    0.9030    6.0190    0.0000 O   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    0.5369    4.6530    0.0000 O   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    2.2690    5.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    6.7089    5.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    5.7089    7.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3429\
    \    5.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0749    6.9030\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5930    3.7500    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2130    6.5559    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    4.9630    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    2.8059    5.3430    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    6.3989    5.0000    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    6.0189    7.8059    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    4.8059    6.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    7.6118    6.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \  2  7  1  0  0  0  0\n  2  8  1  0  0  0  0\n  2  9  1  0  0  0  0\n  2 10 \
    \ 1  0  0  0  0\n  3 11  1  0  0  0  0\n  3 12  1  0  0  0  0\n  3 13  1  0  0\
    \  0  0\n  3 14  1  0  0  0  0\n  7 15  1  0  0  0  0\n  8 16  1  0  0  0  0\n\
    \  9 17  1  0  0  0  0\n 10 18  1  0  0  0  0\n 11 19  1  0  0  0  0\n 12 20 \
    \ 1  0  0  0  0\n 13 21  1  0  0  0  0\n 14 22  1  0  0  0  0\nM  END\n", name: !!python/unicode 'olivine'}


""",
"""---
{IUPACname: !!python/unicode 'iron(2+); silicic acid', formula: !!python/unicode 'FE2SIO4',
  inchi: !!python/unicode 'InChI=1S/2Fe.H4O4Si/c;;1-5(2,3)4/h;;1-4H/q2*+2;', molfile: "166944\n\
    \  -OEChem-09230915252D\n\n 11  8  0     0  0  0  0  0  0999 V2000\n    3.6530\
    \    4.8059    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.4030\
    \    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0\n    3.9030    1.4030    0.0000\
    \ Si  0  0  0  0  0  0  0  0  0  0  0  0\n    4.7690    1.9030    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.0369    0.9030    0.0000 O   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.4030    2.2690    0.0000 O   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.4030    0.5369    0.0000 O   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.3059    1.5930    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    2.5000    1.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    3.7130    2.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    4.0930    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  3  4\
    \  1  0  0  0  0\n  3  5  1  0  0  0  0\n  3  6  1  0  0  0  0\n  3  7  1  0 \
    \ 0  0  0\n  4  8  1  0  0  0  0\n  5  9  1  0  0  0  0\n  6 10  1  0  0  0  0\n\
    \  7 11  1  0  0  0  0\nM  CHG  2   1   2   2   2\nM  END\n", name: !!python/unicode 'fayalite'}


""",
"""---
{IUPACname: !!python/unicode 'magnesium; silicic acid', formula: !!python/unicode 'MG2SIO4',
  inchi: !!python/unicode 'InChI=1S/2Mg.H4O4Si/c;;1-5(2,3)4/h;;1-4H', molfile: "6337066\n\
    \  -OEChem-09230915272D\n\n 11  8  0     0  0  0  0  0  0999 V2000\n    3.9030\
    \    1.4030    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    3.6530    4.8059\
    \    0.0000 Mg  0  0  0  0  0 15  0  0  0  0  0  0\n    0.0000    2.4030    0.0000\
    \ Mg  0  0  0  0  0 15  0  0  0  0  0  0\n    4.7690    1.9030    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    3.0369    0.9030    0.0000 O   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    3.4030    2.2690    0.0000 O   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    4.4030    0.5369    0.0000 O   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    5.3059    1.5930    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    2.5000    1.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    3.7130    2.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    4.0930    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  4\
    \  1  0  0  0  0\n  1  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  1  7  1  0 \
    \ 0  0  0\n  4  8  1  0  0  0  0\n  5  9  1  0  0  0  0\n  6 10  1  0  0  0  0\n\
    \  7 11  1  0  0  0  0\nM  END\n", name: !!python/unicode 'forsterite'}


""",
"""---
{IUPACname: !!python/unicode 'sodium dihydrogen phosphate', formula: !!python/unicode 'H2NAO4P',
  inchi: !!python/unicode 'InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1',
  molfile: "23672064\n  -OEChem-09230915282D\n\n  8  6  0     0  0  0  0  0  0999\
    \ V2000\n    3.4030   -0.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    3.4030    1.2990    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    2.9030\
    \    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.2690    0.0670\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5369   -0.9330    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9030   -1.2990    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    4.8059   -0.2430    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    2.0000   -0.6230    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5 \
    \ 1  0  0  0  0\n  1  6  2  0  0  0  0\n  4  7  1  0  0  0  0\n  5  8  1  0  0\
    \  0  0\nM  CHG  2   2   1   3  -1\nM  END\n", name: !!python/unicode 'sodium
    dihydrogen phosphate'}


""",
"""---
{IUPACname: !!python/unicode 'trisodium phosphate', formula: !!python/unicode 'NA3PO4',
  inchi: !!python/unicode 'InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3',
  molfile: "24243\n  -OEChem-09230915302D\n\n  8  4  0     0  0  0  0  0  0999 V2000\n\
    \    1.7321    2.3170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4641\
    \    2.3170    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.3170\
    \    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    1.7321    4.0490    0.0000\
    \ Na  0  3  0  0  0  0  0  0  0  0  0  0\n    2.5981    2.8170    0.0000 O   0\
    \  5  0  0  0  0  0  0  0  0  0  0\n    0.8660    1.8170    0.0000 O   0  5  0\
    \  0  0  0  0  0  0  0  0  0\n    1.2321    3.1830    0.0000 O   0  5  0  0  0\
    \  0  0  0  0  0  0  0\n    2.2321    1.4510    0.0000 O   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n  1  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  1  7  1  0 \
    \ 0  0  0\n  1  8  2  0  0  0  0\nM  CHG  6   2   1   3   1   4   1   5  -1  \
    \ 6  -1   7  -1\nM  END\n", name: !!python/unicode 'sodium phosphate'}


""",
"""---
{IUPACname: !!python/unicode 'tetrasodium phosphonato phosphate', formula: !!python/unicode 'NA4P2O7',
  inchi: !!python/unicode 'InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4',
  molfile: "24403\n  -OEChem-09230915312D\n\n 13  8  0     0  0  0  0  0  0999 V2000\n\
    \    4.2321    0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9641\
    \    0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5000    0.8660\
    \    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    4.2321    2.5981    0.0000\
    \ Na  0  3  0  0  0  0  0  0  0  0  0  0\n    7.6962    0.8660    0.0000 Na  0\
    \  3  0  0  0  0  0  0  0  0  0  0\n    5.9641    2.5981    0.0000 Na  0  3  0\
    \  0  0  0  0  0  0  0  0  0\n    5.0981    1.3660    0.0000 O   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    3.3660    0.3660    0.0000 O   0  5  0  0  0  0  0\
    \  0  0  0  0  0\n    3.7321    1.7321    0.0000 O   0  5  0  0  0  0  0  0  0\
    \  0  0  0\n    6.8301    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0\
    \  0\n    6.4641    1.7321    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n\
    \    4.7321    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4641\
    \    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  7  1  0  0\
    \  0  0\n  1  8  1  0  0  0  0\n  1  9  1  0  0  0  0\n  1 12  2  0  0  0  0\n\
    \  2  7  1  0  0  0  0\n  2 10  1  0  0  0  0\n  2 11  1  0  0  0  0\n  2 13 \
    \ 2  0  0  0  0\nM  CHG  8   3   1   4   1   5   1   6   1   8  -1   9  -1  10\
    \  -1  11  -1\nM  END\n", name: !!python/unicode 'sodium pyrophosphate'}


""",
"""---
{IUPACname: !!python/unicode 'trisodium 1,3,5-trioxido-2,4,6-trioxa-1$l^{5},3$l^{5},5$l^{5}-triphosphacyclohexane
    1,3,5-trioxide', formula: !!python/unicode 'NA3P3O9', inchi: !!python/unicode 'InChI=1S/3Na.H3O9P3/c;;;1-10(2)7-11(3,4)9-12(5,6)8-10/h;;;(H,1,2)(H,3,4)(H,5,6)/q3*+1;/p-3',
  molfile: "24579\n  -OEChem-09230915342D\n\n 15 12  0     0  0  0  0  0  0999 V2000\n\
    \    1.8660    0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0000\
    \    2.3660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7321    2.3660\
    \    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3660    0.0000    0.0000\
    \ Na  0  3  0  0  0  0  0  0  0  0  0  0\n    1.0000    4.0981    0.0000 Na  0\
    \  3  0  0  0  0  0  0  0  0  0  0\n    4.2321    1.5000    0.0000 Na  0  3  0\
    \  0  0  0  0  0  0  0  0  0\n    1.0000    1.3660    0.0000 O   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    2.7321    1.3660    0.0000 O   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    1.8660    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    1.3660    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0\
    \  0\n    0.5000    3.2321    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n\
    \    3.7321    2.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.3660\
    \    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.3660\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2321    3.2321    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  7  1  0  0  0  0\n  1  8  1  0\
    \  0  0  0\n  1 10  1  0  0  0  0\n  1 13  2  0  0  0  0\n  2  7  1  0  0  0 \
    \ 0\n  2  9  1  0  0  0  0\n  2 11  1  0  0  0  0\n  2 14  2  0  0  0  0\n  3\
    \  8  1  0  0  0  0\n  3  9  1  0  0  0  0\n  3 12  1  0  0  0  0\n  3 15  2 \
    \ 0  0  0  0\nM  CHG  6   4   1   5   1   6   1  10  -1  11  -1  12  -1\nM  END\n",
  name: !!python/unicode 'sodium trimetaphosphate'}


""",
"""---
{IUPACname: !!python/unicode 'aluminum; phosphono dihydrogen phosphate', formula: !!python/unicode 'AL4H12O21P6',
  inchi: !!python/unicode 'InChI=1S/4Al.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)',
  molfile: "6336620\n  -OEChem-09250920172D\n\n 43 36  0     0  0  0  0  0  0999 V2000\n\
    \    1.4030    6.7505    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1350\
    \    6.7505    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9409    7.6350\
    \    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6730    7.6350    0.0000\
    \ P   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6730    3.3660    0.0000 P   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    7.9409    3.3660    0.0000 P   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    8.5570    0.0000    0.0000 Al  0  0  0  0  0\
    \ 15  0  0  0  0  0  0\n    8.5570   11.0380    0.0000 Al  0  0  0  0  0 15  0\
    \  0  0  0  0  0\n    8.5570   13.5380    0.0000 Al  0  0  0  0  0 15  0  0  0\
    \  0  0  0\n   13.0759    6.7690    0.0000 Al  0  0  0  0  0 15  0  0  0  0  0\
    \  0\n    2.2690    7.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    8.8070    8.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8070\
    \    3.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5369    6.2505\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9030    7.6165    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6350    7.6165    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    4.0010    6.2505    0.0000 O   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    7.4409    8.5010    0.0000 O   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    7.0749    7.1350    0.0000 O   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n   10.5390    7.1350    0.0000 O   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n   10.1730    8.5010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n   10.1730    4.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \   10.5390    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4409\
    \    4.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0749    2.8660\
    \    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9030    5.8845    0.0000\
    \ O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6350    5.8845    0.0000 O   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    8.4409    6.7690    0.0000 O   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    9.1730    6.7690    0.0000 O   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n    9.1730    2.5000    0.0000 O   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    8.4409    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    0.0000    6.5605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n    1.2130    8.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n\
    \    3.3250    8.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5380\
    \    6.5605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7509    9.0380\
    \    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5380    7.4450    0.0000\
    \ H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0759    7.4450    0.0000 H   0\
    \  0  0  0  0  0  0  0  0  0  0  0\n    9.8630    9.0380    0.0000 H   0  0  0\
    \  0  0  0  0  0  0  0  0  0\n    9.8630    4.7690    0.0000 H   0  0  0  0  0\
    \  0  0  0  0  0  0  0\n   11.0759    3.1760    0.0000 H   0  0  0  0  0  0  0\
    \  0  0  0  0  0\n    7.7509    4.7690    0.0000 H   0  0  0  0  0  0  0  0  0\
    \  0  0  0\n    6.5380    3.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0\
    \  0\n  1 11  1  0  0  0  0\n  1 14  1  0  0  0  0\n  1 15  1  0  0  0  0\n  1\
    \ 26  2  0  0  0  0\n  2 11  1  0  0  0  0\n  2 16  1  0  0  0  0\n  2 17  1 \
    \ 0  0  0  0\n  2 27  2  0  0  0  0\n  3 12  1  0  0  0  0\n  3 18  1  0  0  0\
    \  0\n  3 19  1  0  0  0  0\n  3 28  2  0  0  0  0\n  4 12  1  0  0  0  0\n  4\
    \ 20  1  0  0  0  0\n  4 21  1  0  0  0  0\n  4 29  2  0  0  0  0\n  5 13  1 \
    \ 0  0  0  0\n  5 22  1  0  0  0  0\n  5 23  1  0  0  0  0\n  5 30  2  0  0  0\
    \  0\n  6 13  1  0  0  0  0\n  6 24  1  0  0  0  0\n  6 25  1  0  0  0  0\n  6\
    \ 31  2  0  0  0  0\n 14 32  1  0  0  0  0\n 15 33  1  0  0  0  0\n 16 34  1 \
    \ 0  0  0  0\n 17 35  1  0  0  0  0\n 18 36  1  0  0  0  0\n 19 37  1  0  0  0\
    \  0\n 20 38  1  0  0  0  0\n 21 39  1  0  0  0  0\n 22 40  1  0  0  0  0\n 23\
    \ 41  1  0  0  0  0\n 24 42  1  0  0  0  0\n 25 43  1  0  0  0  0\nM  END\n",
  name: !!python/unicode 'aluminum pyrophosphate'}

"""]
